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CHEBI:168199 - (3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside]

ChEBI IDCHEBI:168199
ChEBI Name(3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O11
Net Charge0
Average Mass506.589
Monoisotopic Mass506.27271
SMILESCC1=C(CCC(C)OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C(C)(C)CC(O)C1
InChIInChI=1S/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h13-14,16-22,25-31H,5-11H2,1-4H3
InChIKeyKXAHRTBPIZOXEC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(3b,9R)-5-Megastigmene-3,9-diol 9-[apiosyl-(1->6)-glucoside] (CHEBI:168199) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butan-2-yloxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038327HMDB
LMFA13010056LIPID MAPS
20479204ChemSpider